Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate
TL;DR: Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate (CAS 3811-46-9) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate
Also Known As: ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate, ethyl (3Z)-3-(pyridine-4-carbonylhydrazinylidene)butanoate, Isonicotinic acid, (2-carboxy-1-methylethylidene)hydrazide ethyl ester
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 3811-46-9 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC(=O)C1=CC=NC=C1)C |
| InChIKey | KQYAFKZHQIMQMF-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate (CAS 3811-46-9), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate.
Chemical Property Profile of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate
Property Insights of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate. Following Lipinski's Rule of Five, Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate?
The CAS number of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate is 3811-46-9.
What is the molecular formula of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate?
The molecular formula of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate is C12H15N3O3.
What is the molecular weight of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate?
The molecular weight of Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate is 249.11 g/mol.
Where can I buy Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate?
You can request a quote for Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(pyridine-4-carbonylhydrazinylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.